SCHEMBL10880353

SCHEMBL10880353

N#CNc1cccc(N=Nc2ccccc2)c1NC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ CASP3 P42574 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP6 Q9GZR1 2/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ MEN1 O00255 6/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ MAPT P10636 5/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ TDP1 Q9NUW8 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ HBB P68871 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10880350 0.77 RAB9A (0.37) MEN1KMT2AMAPTNPC1L3MBTL1
SCHEMBL1902205 0.70 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL13858679 0.70 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL11050237 0.67 TSHR (0.36) MAPK1L3MBTL1TSHRKDM4EHSD17B10
SCHEMBL3266656 0.67 ALDH1A1 (0.75) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL11505263 0.66 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL11506905 0.66 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL728547 0.66 RAPGEF4 (0.40) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL20658883 0.66 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL11597836 0.66 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078039-B1 THERMOSETTING RESIN COMPOSITION, PREPOLYMER THEREOF AND CURED ARTICLE THEREOF Hitachi, Ltd. (JP) 1986-01-22 — — EP disclosed
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